1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide

C19H18ClN3O2 — CID 18873761

IUPAC1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide
SMILESO=C(Nc1ccncc1)C1CC=CCC1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c20-13-5-7-14(8-6-13)22-18(24)16-3-1-2-4-17(16)19(25)23-15-9-11-21-12-10-15/h1-2,5-12,16-17H,3-4H2,(H,22,24)(H,21,23,25)
InChIKeyVRTNDVWNFLHBGR-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.89
Rot. Bonds4

About 1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide (PubChem CID 18873761) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide
PubChem CID18873761
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide
SMILESO=C(Nc1ccncc1)C1CC=CCC1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c20-13-5-7-14(8-6-13)22-18(24)16-3-1-2-4-17(16)19(25)23-15-9-11-21-12-10-15/h1-2,5-12,16-17H,3-4H2,(H,22,24)(H,21,23,25)
InChIKeyVRTNDVWNFLHBGR-UHFFFAOYSA-N
XLogP3.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,6S)-6-[(4-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795167
2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 18873752
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
4-[[6-[(4-carboxyphenyl)carbamoyl]cyclohex-3-ene-1-carbonyl]amino]benzoic acid
CID 18873811
2-hydroxy-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 110013769
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
2-N-(2-benzoyl-4-chlorophenyl)-1-N-(4-chlorophenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 18873769
1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142356
(1R,6R)-6-[(3,4-difluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7127034
(1S,6R)-6-[(3,4-difluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7127036
6-[[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 22784941

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide (CID 18873761) is 1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide is O=C(Nc1ccncc1)C1CC=CCC1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is VRTNDVWNFLHBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-13-5-7-14(8-6-13)22-18(24)16-3-1-2-4-17(16)19(25)23-15-9-11-21-12-10-15/h1-2,5-12,16-17H,3-4H2,(H,22,24)(H,21,23,25).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 18873761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).